REMARK  Name = BDB057447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.861   3.873   0.554  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.418   2.602   0.381  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -1.640   1.469   0.172  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -0.250   1.610   0.121  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        0.471   0.422  -0.105  0.00  0.00    +0.136 A 
ATOM      6  N   LIG    1       -0.146  -0.763  -0.242  0.00  0.00    -0.212 NA
ATOM      7  C   LIG    1       -1.482  -0.793  -0.156  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        0.322   2.895   0.308  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1       -2.253   0.292   0.030  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -0.480   4.017   0.520  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.150  -2.104  -0.290  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -3.553  -2.219  -0.327  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.184  -3.461  -0.456  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.422  -4.622  -0.550  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.034  -4.542  -0.515  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.407  -3.298  -0.386  0.00  0.00    +0.011 A 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     17  C   LIG    1       -2.255   6.184   0.960  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.770   4.875   0.749  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  N   LIG    1        1.884   0.485  -0.222  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        2.131   1.182  -0.911  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.764  -0.524  -0.022  0.00  0.00    +0.146 A 
ATOM     22  N   LIG    1        2.627  -1.573   0.791  0.00  0.00    -0.158 NA
ATOM     23  N   LIG    1        3.763  -2.265   0.650  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        3.863  -3.128   1.174  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        4.660  -1.682  -0.200  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        5.984  -2.272  -0.484  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        4.037  -0.538  -0.648  0.00  0.00    +0.068 A 
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 4